3-propyl-N-(1-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine

C11H15N3S2 — CID 65271045

IUPAC3-propyl-N-(1-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NC(C)c2cccs2)n1
InChIInChI=1S/C11H15N3S2/c1-3-5-10-13-11(16-14-10)12-8(2)9-6-4-7-15-9/h4,6-8H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyKDAYICSADKTINK-UHFFFAOYSA-N
MW253.40 g/mol
LogP3.73
Rot. Bonds5

About 3-propyl-N-(1-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine

3-propyl-N-(1-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65271045) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is 3-propyl-N-(1-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-propyl-N-(1-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65271045
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC Name3-propyl-N-(1-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NC(C)c2cccs2)n1
InChIInChI=1S/C11H15N3S2/c1-3-5-10-13-11(16-14-10)12-8(2)9-6-4-7-15-9/h4,6-8H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyKDAYICSADKTINK-UHFFFAOYSA-N
XLogP3.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276998
6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80940733
N-(2-chloro-1-phenylethyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65277700
2-phenyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65274322
(2S)-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 122049343
1-N,1-N-diethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
CID 65276800
3-ethyl-N-(1-thiophen-3-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65274547
1-N,1-N-dimethyl-3-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,3-diamine
CID 65276840
ethyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate
CID 65276553
3-propan-2-yl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276944
(2S,3S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
CID 122050568
4-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
CID 65270819

Frequently Asked Questions

What is the IUPAC name of 3-propyl-N-(1-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-propyl-N-(1-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine (CID 65271045) is 3-propyl-N-(1-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-propyl-N-(1-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-propyl-N-(1-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine is CCCc1nsc(NC(C)c2cccs2)n1.
What is the InChIKey of 3-propyl-N-(1-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KDAYICSADKTINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-3-5-10-13-11(16-14-10)12-8(2)9-6-4-7-15-9/h4,6-8H,3,5H2,1-2H3,(H,12,13,14).
What are the key properties of 3-propyl-N-(1-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine?
3-propyl-N-(1-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 253.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-N-(1-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).